Base information
| Cat. No. | |
| CAS No. | 89909-42-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H10BrNO2 |
| Molecular Weight | 232.074 |
| Exact Mass | 230.989 |
| XLogP3 | 2.2623 |
| Mr | 49.5452 |
| PSA | 42.09 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | Cc1c(C(=O)OCC)[nH]cc1Br |
